[2-[2,3-bis(oxidanyl)propoxy]-4-methyl-phenyl] 3-methylsulfonylbenzenesulfonate

Systemtic Name: [2-[2,3-bis(oxidanyl)propoxy]-4-methyl-phenyl] 3-methylsulfonylbenzenesulfonate Openeye Name: [2-(2,3-dihydroxypropoxy)-4-methyl-phenyl] 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid [2-(2,3-dihydroxypropoxy)-4-methylphenyl] ester IUPAC Name: [2-(2,3-dihydroxypropoxy)-4-methylphenyl] 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid (2-glyceryloxy-4-methyl-phenyl) ester Formula: C17H20O8S2 MolecularWeight: 416.4659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)OCC(CO)O

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)OCC(CO)O

InChI

InChI=1S/C17H20O8S2/c1-12-6-7-16(17(8-12)24-11-13(19)10-18)25-27(22,23)15-5-3-4-14(9-15)26(2,20)21/h3-9,13,18-19H,10-11H2,1-2H3